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Home > Other Heterocycles > 82313-43-7
82313-43-7 | 2-Oxabicyclo[2.2.2]octa-5,7-dien-3-one
CAS No: 82313-43-7 Catalog No: AG0055YX MDL No:
Product Description
Catalog Number:
AG0055YX
Chemical Name:
2-Oxabicyclo[2.2.2]octa-5,7-dien-3-one
CAS Number:
82313-43-7
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
IUPAC Name:
2-oxabicyclo[2.2.2]octa-5,7-dien-3-one
InChI:
InChI=1S/C7H6O2/c8-7-5-1-3-6(9-7)4-2-5/h1-6H
InChI Key:
LUAFCNRVYQKSFC-UHFFFAOYSA-N
SMILES:
O=C1OC2C=CC1C=C2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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